HRID186289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID11085762

Benzoic acid, 2-(methylthio)-4-(trifluoromethyl)-

C9H7F3O2S

PRODUCTS

生成物

HCID66681581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c476298f241b44e092b026a47756c064
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][S:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[NH2:49][CH:50]1[CH:51]([NH2:56])[CH2:52][CH2:53][CH2:54][CH2:55]1.[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][S:2][c:3]1[c:4]([C:5](=[O:7])[NH:56][CH:51]2[CH:50]([NH2:49])[CH2:55][CH2:54][CH2:53][CH2:52]2)[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1